2-methyl-N-[5-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]propanamide

C12H13F3N4O2 — CID 110455640

IUPAC2-methyl-N-[5-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]propanamide
SMILESCC(C)C(=O)Nc1nc2cccc(OCC(F)(F)F)n2n1
InChIInChI=1S/C12H13F3N4O2/c1-7(2)10(20)17-11-16-8-4-3-5-9(19(8)18-11)21-6-12(13,14)15/h3-5,7H,6H2,1-2H3,(H,17,18,20)
InChIKeyGPXOQOFRUWTIRC-UHFFFAOYSA-N
MW302.26 g/mol
LogP2.26
Rot. Bonds4

About 2-methyl-N-[5-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]propanamide

2-methyl-N-[5-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]propanamide (PubChem CID 110455640) has the molecular formula C12H13F3N4O2 and a molecular weight of 302.26 g/mol. Its IUPAC name is 2-methyl-N-[5-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[5-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]propanamide
PubChem CID110455640
Molecular FormulaC12H13F3N4O2
Molecular Weight302.26 g/mol
Exact Mass302.10
IUPAC Name2-methyl-N-[5-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]propanamide
SMILESCC(C)C(=O)Nc1nc2cccc(OCC(F)(F)F)n2n1
InChIInChI=1S/C12H13F3N4O2/c1-7(2)10(20)17-11-16-8-4-3-5-9(19(8)18-11)21-6-12(13,14)15/h3-5,7H,6H2,1-2H3,(H,17,18,20)
InChIKeyGPXOQOFRUWTIRC-UHFFFAOYSA-N
XLogP2.26
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.26
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[5-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]propanamide?
The IUPAC name of 2-methyl-N-[5-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]propanamide (CID 110455640) is 2-methyl-N-[5-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[5-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]propanamide?
The canonical SMILES for 2-methyl-N-[5-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]propanamide is CC(C)C(=O)Nc1nc2cccc(OCC(F)(F)F)n2n1.
What is the InChIKey of 2-methyl-N-[5-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]propanamide?
The InChIKey is GPXOQOFRUWTIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N4O2/c1-7(2)10(20)17-11-16-8-4-3-5-9(19(8)18-11)21-6-12(13,14)15/h3-5,7H,6H2,1-2H3,(H,17,18,20).
What are the key properties of 2-methyl-N-[5-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]propanamide?
2-methyl-N-[5-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]propanamide has a molecular weight of 302.26 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[5-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]propanamide is sourced from PubChem (CID 110455640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).